Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D09BWP
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| Former ID |
DNC004472
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| Drug Name |
[HO1][Orn8(5/6C-Flu)]VT
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C61H72N12O18S2
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)C<br />2=CC=C(C=C2)O)O)C(=O)N3CCCC3C(=O)NC(CCCNC(=O)C4=CC5=C(C<br />=C4)C(=O)OC56C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)C(=O)NCN)<br />CC(=O)N)CCC(=O)N
|
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| InChI |
1S/C61H72N12O18S2/c1-3-29(2)49-57(86)68-40(18-19-47(63)78)53(82)69-41(25-48(64)79)54(83)70-42(26-92-93-27-44(77)56(85)72-50(58(87)71-49)30-8-11-32(74)12-9-30)59(88)73-21-5-7-43(73)55(84)67-39(52(81)66-28-62)6-4-20-65-51(80)31-10-15-35-38(22-31)61(91-60(35)89)36-16-13-33(75)23-45(36)90-46-24-34(76)14-17-37(46)61/h8-17,22-24,29,39-44,49-50,74-77H,3-7,18-21,25-28,62H2,1-2H3,(H2,63,78)(H2,64,79)(H,65,80)(H,66,81)(H,67,84)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,72,85)/t29?,39-,40+,41+,42+,43+,44?,49+,50-/m0/s1
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| InChIKey |
AKOGSKPWCBYRCU-IRJYFLAISA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Vasopressin V1a receptor | Target Info | Inhibitor | [1] | |
| Vasopressin V1b receptor | Target Info | Inhibitor | [1] | ||
| Oxytocin receptor | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Vascular smooth muscle contractionhsa04020:Calcium signaling pathway | |||||
| cAMP signaling pathway | |||||
| Oxytocin signaling pathway | |||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | ||||
| PANTHER Pathway | Oxytocin receptor mediated signaling pathway | ||||
| Reactome | Vasopressin-like receptors | ||||
| G alpha (q) signalling eventsR-HSA-388479:Vasopressin-like receptors | |||||
| G alpha (q) signalling events | |||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like | |||||
| Myometrial Relaxation and Contraction Pathways | |||||
| Oxytocin signaling | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | J Med Chem. 2002 Jun 6;45(12):2579-88.Synthesis and characterization of fluorescent antagonists and agonists for human oxytocin and vasopressin V(1)(a) receptors. | ||||
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